9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide

C21H17ClN2O — CID 174414833

IUPAC9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1ccc(Cn2c3ccccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C21H17ClN2O/c1-13-9-10-14(11-17(13)22)12-24-18-7-3-2-5-15(18)20-16(21(23)25)6-4-8-19(20)24/h2-11H,12H2,1H3,(H2,23,25)
InChIKeyIMXVJJYZMOOCCP-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.90
Rot. Bonds3

About 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide

9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174414833) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
PubChem CID174414833
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
SMILESCc1ccc(Cn2c3ccccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C21H17ClN2O/c1-13-9-10-14(11-17(13)22)12-24-18-7-3-2-5-15(18)20-16(21(23)25)6-4-8-19(20)24/h2-11H,12H2,1H3,(H2,23,25)
InChIKeyIMXVJJYZMOOCCP-UHFFFAOYSA-N
XLogP4.90
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174418424
9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401073
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174417997
9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414814

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide (CID 174414833) is 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide is Cc1ccc(Cn2c3ccccc3c3c(C(N)=O)cccc32)cc1Cl.
What is the InChIKey of 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is IMXVJJYZMOOCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c1-13-9-10-14(11-17(13)22)12-24-18-7-3-2-5-15(18)20-16(21(23)25)6-4-8-19(20)24/h2-11H,12H2,1H3,(H2,23,25).
What are the key properties of 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide?
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174414833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).